9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine

C63H46N2 — CID 176611821

IUPAC9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5-c5ccccc5)cc4)c3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C63H46N2/c1-63(2)59-26-13-12-25-57(59)58-37-36-55(42-60(58)63)64(53-34-29-43-15-6-8-20-48(43)40-53)52-23-14-22-50(39-52)45-27-32-51(33-28-45)65(54-35-30-44-16-7-9-21-49(44)41-54)61-38-31-46-17-10-11-24-56(46)62(61)47-18-4-3-5-19-47/h3-42H,1-2H3
InChIKeyGXCPDXYKZUVQAR-UHFFFAOYSA-N
MW831.08 g/mol
LogP17.73
Rot. Bonds8

About 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine (PubChem CID 176611821) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
PubChem CID176611821
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC Name9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5-c5ccccc5)cc4)c3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C63H46N2/c1-63(2)59-26-13-12-25-57(59)58-37-36-55(42-60(58)63)64(53-34-29-43-15-6-8-20-48(43)40-53)52-23-14-22-50(39-52)45-27-32-51(33-28-45)65(54-35-30-44-16-7-9-21-49(44)41-54)61-38-31-46-17-10-11-24-56(46)62(61)47-18-4-3-5-19-47/h3-42H,1-2H3
InChIKeyGXCPDXYKZUVQAR-UHFFFAOYSA-N
XLogP17.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.08
LogP ≤ 517.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611810
3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286747
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 158564793
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 164774882
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221488
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 170417565
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158189817

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine (CID 176611821) is 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5-c5ccccc5)cc4)c3)c3ccc4ccccc4c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine?
The InChIKey is GXCPDXYKZUVQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-63(2)59-26-13-12-25-57(59)58-37-36-55(42-60(58)63)64(53-34-29-43-15-6-8-20-48(43)40-53)52-23-14-22-50(39-52)45-27-32-51(33-28-45)65(54-35-30-44-16-7-9-21-49(44)41-54)61-38-31-46-17-10-11-24-56(46)62(61)47-18-4-3-5-19-47/h3-42H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine has a molecular weight of 831.08 g/mol, XLogP of 17.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 176611821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).